Cas no 35135-68-3 (Pregna-1,4-diene-3,20-dione,6,6,9-trifluoro-11,17,21-trihydroxy-16-methyl-, (11b,16a)- (9CI))

Pregna-1,4-diene-3,20-dione,6,6,9-trifluoro-11,17,21-trihydroxy-16-methyl-, (11b,16a)- (9CI) structure
35135-68-3 structure
Product Name:Pregna-1,4-diene-3,20-dione,6,6,9-trifluoro-11,17,21-trihydroxy-16-methyl-, (11b,16a)- (9CI)
CAS No:35135-68-3
MF:C22H27F3O5
MW:428.441997766495
CID:315908
PubChem ID:20055458
Update Time:2025-04-19

Pregna-1,4-diene-3,20-dione,6,6,9-trifluoro-11,17,21-trihydroxy-16-methyl-, (11b,16a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pregna-1,4-diene-3,20-dione,6,6,9-trifluoro-11,17,21-trihydroxy-16-methyl-, (11b,16a)- (9CI)
    • (8S,9R,10S,11S,13S,14S,16R,17R)-6,6,9-trifluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-8,11,12,14,15,16-hexahydro-7H-cyclopenta[a]phenanthren-3-one
    • (8xi,10xi,11beta,13xi,16alpha)-6,6,9-trifluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
    • 6,6,9-Trifluor-11beta,17,21-trihydroxy-16alpha-methyl-1,4-pregnadien-3,20-dion
    • 6,6,9-Trifluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione
    • Cormetasona
    • Cormetasone [INN]
    • Cormetasonum
    • UNII-SKF3NCF20A
    • CORMETASONE
    • Pregna-1,4-diene-3,20-dione, 6,6,9-trifluoro-11,17,21-trihydroxy-16-methyl-, (11.beta.,16.alpha.)-
    • Q27289254
    • 6,6,9-TRIFLUORO-11.BETA.,17,21-TRIHYDROXY-16.ALPHA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE
    • QVTPFMPYKMLGGK-QPZANWORSA-N
    • CORMETHASONE
    • 35135-68-3
    • SCHEMBL1816011
    • DTXSID20188632
    • SKF3NCF20A
    • Inchi： 1S/C22H27F3O5/c1-11-6-13-14-8-20(23,24)15-7-12(27)4-5-18(15,2)21(14,25)16(28)9-19(13,3)22(11,30)17(29)10-26/h4-5,7,11,13-14,16,26,28,30H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19+,21+,22+/m1/s1
    • InChI Key： QVTPFMPYKMLGGK-QPZANWORSA-N
    • SMILES： F[C@@]12[C@]3(C=CC(C=C3C(C[C@H]1[C@@H]1C[C@@H](C)[C@](C(CO)=O)([C@@]1(C)C[C@@H]2O)O)(F)F)=O)C

Computed Properties

  • Exact Mass: 428.18105844g/mol
  • Monoisotopic Mass: 428.18105844g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 2
  • Complexity: 884
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 94.8?2

Pregna-1,4-diene-3,20-dione,6,6,9-trifluoro-11,17,21-trihydroxy-16-methyl-, (11b,16a)- (9CI) Related Literature

35135-68-3 (Pregna-1,4-diene-3,20-dione,6,6,9-trifluoro-11,17,21-trihydroxy-16-methyl-, (11b,16a)- (9CI)) Related Products

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